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Dependencies
- alphapulldown
- ihm
- jax ==0.5.3
- jax-triton ==0.2.0
- jaxtyping ==0.2.34
- matplotlib
- numpy ==1.26.4
- nvidia-ml-py
- opt-einsum
- packaging
- pandas
- pydantic
- rdkit ==2024.3.5
- scipy ==1.16.0
- torch >=1.6
- triton ==3.1.0
- typeguard ==2.13.3
- zstandard ==0.23.0